1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine

C12H22F2N2O — CID 116840550

IUPAC1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
SMILESFC(F)(CC1CCOCC1)CN1CCNCC1
InChIInChI=1S/C12H22F2N2O/c13-12(14,9-11-1-7-17-8-2-11)10-16-5-3-15-4-6-16/h11,15H,1-10H2
InChIKeyHDWZAHKJYFNGHY-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.34
Rot. Bonds4

About 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine

1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine (PubChem CID 116840550) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
PubChem CID116840550
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
SMILESFC(F)(CC1CCOCC1)CN1CCNCC1
InChIInChI=1S/C12H22F2N2O/c13-12(14,9-11-1-7-17-8-2-11)10-16-5-3-15-4-6-16/h11,15H,1-10H2
InChIKeyHDWZAHKJYFNGHY-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
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CID 171288800
1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine
CID 154281823
N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960873
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
CID 116873116
1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
CID 116873103
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
CID 62990691
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
6,6-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 115100731
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine?
The IUPAC name of 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine (CID 116840550) is 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine.
What is the SMILES notation for 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine?
The canonical SMILES for 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine is FC(F)(CC1CCOCC1)CN1CCNCC1.
What is the InChIKey of 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine?
The InChIKey is HDWZAHKJYFNGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c13-12(14,9-11-1-7-17-8-2-11)10-16-5-3-15-4-6-16/h11,15H,1-10H2.
What are the key properties of 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine?
1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine has a molecular weight of 248.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine is sourced from PubChem (CID 116840550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).